SCHEMBL25199807

SCHEMBL25199807

O=C(O)CNC(=O)c1cc(C(F)(F)F)ccn1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ DDR1 Q08345 1/20 0.51
▸ EGLN1 Q9GZT9 7/20 0.48
▸ TRPA1 O75762 1/20 0.47
▸ LOXL2 Q9Y4K0 1/20 0.47
▸ FTO Q9C0B1 2/20 0.44
▸ ALKBH2 Q6NS38 1/20 0.44
▸ ALKBH5 Q6P6C2 1/20 0.44
▸ ALKBH3 Q96Q83 1/20 0.44
▸ PYGL P06737 1/20 0.43
▸ PYGM P11217 1/20 0.43
▸ ANO1 Q5XXA6 1/20 0.43
▸ GLS O94925 2/20 0.43
▸ EGLN2 Q96KS0 1/20 0.42
▸ TLR7 Q9NYK1 1/20 0.42
▸ MMP13 P45452 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25202245 0.82 DDR1 (0.52) DDR1TRPA1LOXL2PYGLPYGM
SCHEMBL16093766 0.81 ALDH1A1 (0.52) DDR1TRPA1LOXL2FTOALKBH2
SCHEMBL25552436 0.79 DDR1 (0.52) DDR1TRPA1LOXL2FTOALKBH2
SCHEMBL30595870 0.78 KDR (0.54) DDR1FTOALKBH2ALKBH5ALKBH3
SCHEMBL18422426 0.78 KDR (0.54) DDR1FTOALKBH2ALKBH5ALKBH3
SCHEMBL29537506 0.77 KDM4E (0.55) EGLN1FTOALKBH2ALKBH5ALKBH3
SCHEMBL222146 0.77 KDM4E (0.55) EGLN1FTOALKBH2ALKBH5ALKBH3
SCHEMBL171037 0.77 EGLN1 (0.55) EGLN1FTOEGLN2MMP13
SCHEMBL5926500 0.77 GCGR (0.57) EGLN1MMP13
SCHEMBL30717932 0.76 EGLN1 (0.46) EGLN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023081666-A1 COMPOUNDS AS CCR2 MODULATORS ARIA PHARMACEUTICALS, INC. (US) 2023-05-11 — — WO disclosed
WO-2023081666-A1 COMPOUNDS AS CCR2 MODULATORS ARIA PHARMACEUTICALS, INC. (US) 2023-05-11 — — WO disclosed
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